(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine

C14H21F3N4O3 — CID 171556654

IUPAC(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CN)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H17NO3.C5H4F3N3/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;6-5(7,8)3-1-10-2-4(9)11-3/h6-8H,3-5,10H2,1-2H3;1-2H,(H2,9,11)
InChIKeySVAZUJCZIZYSFP-UHFFFAOYSA-N
MW350.34 g/mol
LogP1.33
Rot. Bonds1

About (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine

(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171556654) has the molecular formula C14H21F3N4O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171556654
Molecular FormulaC14H21F3N4O3
Molecular Weight350.34 g/mol
Exact Mass350.16
IUPAC Name(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CN)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H17NO3.C5H4F3N3/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;6-5(7,8)3-1-10-2-4(9)11-3/h6-8H,3-5,10H2,1-2H3;1-2H,(H2,9,11)
InChIKeySVAZUJCZIZYSFP-UHFFFAOYSA-N
XLogP1.33
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine with MolForge

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Related Compounds

(2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221555
(2R,3R,4R,5S)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221558
N-[(3aS,4R,7S,7aR)-4-(aminomethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 167221591
cis-(1S,2S)-N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]-2-fluorocyclopropane-1-carboxamide
CID 167221592
N-[(3aR,4R,7S,7aR)-4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 167221642
((3aR,4R,7S,7aR)-2,2-dimethyl-7-((6-(trifluoromethyl)pyrazin-2-yl)amino)tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol
CID 167221666
(2R,3R,4R,5S)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221691
N-[(3aR,4R,7S,7aR)-4-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 167221729
2-[2-[2-[2-[[(3aR,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 167221731
N-[(3aR,4R,7S,7aR)-4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 167221833
N-[(3aS,4R,7S,7aR)-2,2-dimethyl-4-(methylaminomethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 167222143
(2R,3R,4R)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167222175

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine (CID 171556654) is (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine is CC1(C)OC2CCOC(CN)C2O1.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is SVAZUJCZIZYSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.C5H4F3N3/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;6-5(7,8)3-1-10-2-4(9)11-3/h6-8H,3-5,10H2,1-2H3;1-2H,(H2,9,11).
What are the key properties of (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine?
(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 350.34 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171556654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).